3D67
Crystal structure of Thrombin-Activatable Fibrinolysis Inhibitor (TAFI) in complex with 2-guanidino-ethyl-mercaptosuccinic acid (GEMSA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97320 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 161.050, 161.050, 138.990 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.090 - 3.400 |
R-factor | 0.20043 |
Rwork | 0.198 |
R-free | 0.25218 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d66 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.485 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.3.0008) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.270 | 3.580 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.091 | 0.630 |
Number of reflections | 28900 | |
<I/σ(I)> | 11.4 | 2.2 |
Completeness [%] | 99.6 | 100 |
Redundancy | 4.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 277 | 16-18% PEG 3000, 0.18-0.22mM Na/K-tartrate, 50mM L-glutamate, 50mM L-arginine, 1mM GEMSA, pH 6.0, VAPOR DIFFUSION, temperature 277K |